4-bromanyl-3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 4-bromo-3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid CAS Name: 4-bromo-3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 4-bromo-3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid Traditional Name: 4-bromo-3-[2-keto-2-(propargylamino)ethyl]sulfonyl-benzoic acid Formula: C12H10BrNO5S MolecularWeight: 360.1805

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Br

Isomeric SMILES

C#CCNC(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Br

InChI

InChI=1S/C12H10BrNO5S/c1-2-5-14-11(15)7-20(18,19)10-6-8(12(16)17)3-4-9(10)13/h1,3-4,6H,5,7H2,(H,14,15)(H,16,17)